C262H398O17 — CID 161441539
5-ethenyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-pentyloxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[4-(4-ethylphenyl)cyclohexyl]-5-pentyloxane;5-ethyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;2-[(E)-2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[2-[4-(4-methoxyphenyl)cyclohexyl]ethyl]-5-propyloxane;5-methoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-methoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane (PubChem CID 161441539) has the molecular formula C262H398O17 and a molecular weight of 3820.05 g/mol. Its IUPAC name is 5-ethenyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-pentyloxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[4-(4-ethylphenyl)cyclohexyl]-5-pentyloxane;5-ethyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;2-[(E)-2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[2-[4-(4-methoxyphenyl)cyclohexyl]ethyl]-5-propyloxane;5-methoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-methoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane.
| Compound Name | 5-ethenyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-pentyloxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[4-(4-ethylphenyl)cyclohexyl]-5-pentyloxane;5-ethyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;2-[(E)-2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[2-[4-(4-methoxyphenyl)cyclohexyl]ethyl]-5-propyloxane;5-methoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-methoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane |
|---|---|
| PubChem CID | 161441539 |
| Molecular Formula | C262H398O17 |
| Molecular Weight | 3820.05 g/mol |
| Exact Mass | 3817.03 |
| IUPAC Name | 5-ethenyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-ethoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-pentyloxane;2-[(E)-2-[4-(4-ethylphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[4-(4-ethylphenyl)cyclohexyl]-5-pentyloxane;5-ethyl-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;2-[(E)-2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-5-propyloxane;2-[2-[4-(4-methoxyphenyl)cyclohexyl]ethyl]-5-propyloxane;5-methoxy-2-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]oxane;5-methoxy-2-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]oxane |
| SMILES | C=CC1CCC(/C=C/C2CCC(c3ccc(CCC)cc3)CC2)OC1.CCCC1CCC(/C=C/C2CCC(c3ccc(CC)cc3)CC2)OC1.CCCC1CCC(/C=C/C2CCC(c3ccc(OC)cc3)CC2)OC1.CCCC1CCC(CCC2CCC(c3ccc(OC)cc3)CC2)OC1.CCCCCC1CCC(/C=C/C2CCC(c3ccc(CC)cc3)CC2)OC1.CCCCCC1CCC(C2CCC(c3ccc(CC)cc3)CC2)OC1.CCCc1ccc(C2CCC(/C=C/C3CCC(CC)CO3)CC2)cc1.CCCc1ccc(C2CCC(/C=C/C3CCC(OC)CO3)CC2)cc1.CCCc1ccc(C2CCC(/C=C/C3CCC(OCC)CO3)CC2)cc1.CCCc1ccc(C2CCC(CCC3CCC(OC)CO3)CC2)cc1.CCCc1ccc(C2CCC(CCC3CCC(OCC)CO3)CC2)cc1 |
| InChI | InChI=1S/C26H40O.C24H38O2.C24H36O2.C24H36O.C24H34O.C24H36O.C24H38O.C23H36O2.C23H34O2.C23H36O2.C23H34O2/c1-3-5-6-7-23-13-19-26(27-20-23)18-12-22-10-16-25(17-11-22)24-14-8-21(4-2)9-15-24;2*1-3-5-19-6-11-21(12-7-19)22-13-8-20(9-14-22)10-15-23-16-17-24(18-26-23)25-4-2;2*1-3-5-20-6-12-22(13-7-20)23-14-8-21(9-15-23)11-17-24-16-10-19(4-2)18-25-24;1-3-5-21-11-17-24(25-18-21)16-10-20-8-14-23(15-9-20)22-12-6-19(4-2)7-13-22;1-3-5-6-7-20-10-17-24(25-18-20)23-15-13-22(14-16-23)21-11-8-19(4-2)9-12-21;2*1-3-4-18-5-10-20(11-6-18)21-12-7-19(8-13-21)9-14-22-15-16-23(24-2)17-25-22;2*1-3-4-19-8-14-23(25-17-19)13-7-18-5-9-20(10-6-18)21-11-15-22(24-2)16-12-21/h8-9,12,14-15,18,22-23,25-26H,3-7,10-11,13,16-17,19-20H2,1-2H3;6-7,11-12,20,22-24H,3-5,8-10,13-18H2,1-2H3;6-7,10-12,15,20,22-24H,3-5,8-9,13-14,16-18H2,1-2H3;6-7,11-13,17,19,21,23-24H,3-5,8-10,14-16,18H2,1-2H3;4,6-7,11-13,17,19,21,23-24H,2-3,5,8-10,14-16,18H2,1H3;6-7,10,12-13,16,20-21,23-24H,3-5,8-9,11,14-15,17-18H2,1-2H3;8-9,11-12,20,22-24H,3-7,10,13-18H2,1-2H3;5-6,10-11,19,21-23H,3-4,7-9,12-17H2,1-2H3;5-6,9-11,14,19,21-23H,3-4,7-8,12-13,15-17H2,1-2H3;11-12,15-16,18-20,23H,3-10,13-14,17H2,1-2H3;7,11-13,15-16,18-20,23H,3-6,8-10,14,17H2,1-2H3/b18-12+;;15-10+;2*17-11+;16-10+;;;14-9+;;13-7+ |
| InChIKey | VZIJLLHCPOGPQW-OVSMQNNLSA-N |
| XLogP | 70.50 |
| TPSA | 156.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 74 |
| Heavy Atoms | 279 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3820.05 |
| LogP ≤ 5 | 70.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|